Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.37 |
| ▸ | HTR3B | O95264 | 2/20 | 0.37 |
| ▸ | HTR3A | P46098 | 2/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 7/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10262759 | 0.81 | ALDH1A1 (0.36) | TDP1CTSLHTR3EHTR3BHTR3A | |
| SCHEMBL12858884 | 0.72 | PARP1 (0.61) | PARP1TDP1CTSLCTSKNPC1 | |
| SCHEMBL16952628 | 0.71 | TDP1 (0.52) | PARP1TDP1TP53NPC1SMN1; SMN2 | |
| SCHEMBL10263311 | 0.71 | PARP1 (0.46) | PARP1TDP1TP53CTSLCTSK | |
| SCHEMBL12802064 | 0.68 | TDP1 (0.52) | PARP1TDP1TP53NPC1SMN1; SMN2 | |
| SCHEMBL22043777 | 0.67 | PARP1 (0.53) | PARP1TDP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12825306 | 0.67 | PARP1 (0.63) | PARP1TDP1CTSLHTR3EHTR3B | |
| SCHEMBL26538671 | 0.67 | PARP1 (0.38) | PARP1TDP1TP53SMN1; SMN2LMNA | |
| SCHEMBL19273899 | 0.67 | PARP1 (0.45) | PARP1CTSLCTSKHTR3EHTR3B | |
| SCHEMBL24710508 | 0.66 | TDP1 (0.50) | PARP1TDP1TP53NPC1SMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |